ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate

C10H17NO3 — CID 15639117

IUPACethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
SMILESCCOC(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C10H17NO3/c1-2-14-10(12)7-3-8-5-13-6-9(4-7)11-8/h7-9,11H,2-6H2,1H3
InChIKeyMSRAMKVYTIPPFY-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds2

About ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate

ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate (PubChem CID 15639117) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
PubChem CID15639117
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
SMILESCCOC(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C10H17NO3/c1-2-14-10(12)7-3-8-5-13-6-9(4-7)11-8/h7-9,11H,2-6H2,1H3
InChIKeyMSRAMKVYTIPPFY-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
The IUPAC name of ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate (CID 15639117) is ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate.
What is the SMILES notation for ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
The canonical SMILES for ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate is CCOC(=O)C1CC2COCC(C1)N2.
What is the InChIKey of ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
The InChIKey is MSRAMKVYTIPPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-14-10(12)7-3-8-5-13-6-9(4-7)11-8/h7-9,11H,2-6H2,1H3.
What are the key properties of ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate is sourced from PubChem (CID 15639117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).